Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.6249   -1.5666    0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -0.3177    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0239    0.2203   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    1.5751   -0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4159    2.0874   -0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    1.3055   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -0.0249    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0694   -0.5683    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5216   -0.9153    0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8693   -2.3015    0.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499   -1.8941    0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326    0.3476   -0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    2.2044   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108    3.1332   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100    1.7615   -0.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053   -1.6226    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755   -0.6710   -0.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9576   -0.7601    1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2013   -1.9928    0.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers